IRC_VNORM0

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Revision as of 10:31, 6 November 2023 by Tbucko (talk | contribs) (Created page with "{{DISPLAYTITLE:IRC_VNORM0}} {{TAGDEF|IRC_VNORM0|real | 0.002}} Description: in the damped velocity Verlet algorithm for the {{TAG|IRC calculations}}, the damping is realized...")
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IRC_VNORM0 = real
Default: IRC_VNORM0 = 0.002 

Description: in the damped velocity Verlet algorithm for the IRC calculations, the damping is realized via rescaling the velocity vector to a constant value (in Å/fs) defined via the parameter IRC_VNORM0.

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